&CONTROL calculation = 'bands' verbosity = 'high' prefix = 'si' outdir = './tmp' pseudo_dir = '../pseudo' tprnfor = .true. tstress = .true. / &SYSTEM ibrav = 2 A = 5.397607551 nbnd = 8 nat = 2 ntyp = 1 ecutwfc = 60 ecutrho = 640 occupations = 'fixed' / &ELECTRONS conv_thr = 1.0d-12 / ATOMIC_SPECIES Si 28.085 Si.pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS alat Si 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS tpiba 101 0.70000000 0.00000000 0.00000000 1.0 0.70250000 0.00000000 0.00000000 1.0 0.70500000 0.00000000 0.00000000 1.0 0.70750000 0.00000000 0.00000000 1.0 0.71000000 0.00000000 0.00000000 1.0 0.71250000 0.00000000 0.00000000 1.0 0.71500000 0.00000000 0.00000000 1.0 0.71750000 0.00000000 0.00000000 1.0 0.72000000 0.00000000 0.00000000 1.0 0.72250000 0.00000000 0.00000000 1.0 0.72500000 0.00000000 0.00000000 1.0 0.72750000 0.00000000 0.00000000 1.0 0.73000000 0.00000000 0.00000000 1.0 0.73250000 0.00000000 0.00000000 1.0 0.73500000 0.00000000 0.00000000 1.0 0.73750000 0.00000000 0.00000000 1.0 0.74000000 0.00000000 0.00000000 1.0 0.74250000 0.00000000 0.00000000 1.0 0.74500000 0.00000000 0.00000000 1.0 0.74750000 0.00000000 0.00000000 1.0 0.75000000 0.00000000 0.00000000 1.0 0.75250000 0.00000000 0.00000000 1.0 0.75500000 0.00000000 0.00000000 1.0 0.75750000 0.00000000 0.00000000 1.0 0.76000000 0.00000000 0.00000000 1.0 0.76250000 0.00000000 0.00000000 1.0 0.76500000 0.00000000 0.00000000 1.0 0.76750000 0.00000000 0.00000000 1.0 0.77000000 0.00000000 0.00000000 1.0 0.77250000 0.00000000 0.00000000 1.0 0.77500000 0.00000000 0.00000000 1.0 0.77750000 0.00000000 0.00000000 1.0 0.78000000 0.00000000 0.00000000 1.0 0.78250000 0.00000000 0.00000000 1.0 0.78500000 0.00000000 0.00000000 1.0 0.78750000 0.00000000 0.00000000 1.0 0.79000000 0.00000000 0.00000000 1.0 0.79250000 0.00000000 0.00000000 1.0 0.79500000 0.00000000 0.00000000 1.0 0.79750000 0.00000000 0.00000000 1.0 0.80000000 0.00000000 0.00000000 1.0 0.80250000 0.00000000 0.00000000 1.0 0.80500000 0.00000000 0.00000000 1.0 0.80750000 0.00000000 0.00000000 1.0 0.81000000 0.00000000 0.00000000 1.0 0.81250000 0.00000000 0.00000000 1.0 0.81500000 0.00000000 0.00000000 1.0 0.81750000 0.00000000 0.00000000 1.0 0.82000000 0.00000000 0.00000000 1.0 0.82250000 0.00000000 0.00000000 1.0 0.82500000 0.00000000 0.00000000 1.0 0.82750000 0.00000000 0.00000000 1.0 0.83000000 0.00000000 0.00000000 1.0 0.83250000 0.00000000 0.00000000 1.0 0.83500000 0.00000000 0.00000000 1.0 0.83750000 0.00000000 0.00000000 1.0 0.84000000 0.00000000 0.00000000 1.0 0.84250000 0.00000000 0.00000000 1.0 0.84500000 0.00000000 0.00000000 1.0 0.84750000 0.00000000 0.00000000 1.0 0.85000000 0.00000000 0.00000000 1.0 0.85250000 0.00000000 0.00000000 1.0 0.85500000 0.00000000 0.00000000 1.0 0.85750000 0.00000000 0.00000000 1.0 0.86000000 0.00000000 0.00000000 1.0 0.86250000 0.00000000 0.00000000 1.0 0.86500000 0.00000000 0.00000000 1.0 0.86750000 0.00000000 0.00000000 1.0 0.87000000 0.00000000 0.00000000 1.0 0.87250000 0.00000000 0.00000000 1.0 0.87500000 0.00000000 0.00000000 1.0 0.87750000 0.00000000 0.00000000 1.0 0.88000000 0.00000000 0.00000000 1.0 0.88250000 0.00000000 0.00000000 1.0 0.88500000 0.00000000 0.00000000 1.0 0.88750000 0.00000000 0.00000000 1.0 0.89000000 0.00000000 0.00000000 1.0 0.89250000 0.00000000 0.00000000 1.0 0.89500000 0.00000000 0.00000000 1.0 0.89750000 0.00000000 0.00000000 1.0 0.90000000 0.00000000 0.00000000 1.0 0.90250000 0.00000000 0.00000000 1.0 0.90500000 0.00000000 0.00000000 1.0 0.90750000 0.00000000 0.00000000 1.0 0.91000000 0.00000000 0.00000000 1.0 0.91250000 0.00000000 0.00000000 1.0 0.91500000 0.00000000 0.00000000 1.0 0.91750000 0.00000000 0.00000000 1.0 0.92000000 0.00000000 0.00000000 1.0 0.92250000 0.00000000 0.00000000 1.0 0.92500000 0.00000000 0.00000000 1.0 0.92750000 0.00000000 0.00000000 1.0 0.93000000 0.00000000 0.00000000 1.0 0.93250000 0.00000000 0.00000000 1.0 0.93500000 0.00000000 0.00000000 1.0 0.93750000 0.00000000 0.00000000 1.0 0.94000000 0.00000000 0.00000000 1.0 0.94250000 0.00000000 0.00000000 1.0 0.94500000 0.00000000 0.00000000 1.0 0.94750000 0.00000000 0.00000000 1.0 0.95000000 0.00000000 0.00000000 1.0